2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

C11H17F3N2O3 — CID 55227642

IUPAC2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C1(C(F)(F)F)CCNC1)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-2-3-7(8(17)18)16-9(19)10(11(12,13)14)4-5-15-6-10/h7,15H,2-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyJEUNIOQEUMQOJI-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.90
Rot. Bonds5

About 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 55227642) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID55227642
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)C1(C(F)(F)F)CCNC1)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-2-3-7(8(17)18)16-9(19)10(11(12,13)14)4-5-15-6-10/h7,15H,2-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyJEUNIOQEUMQOJI-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (CID 55227642) is 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is CCCC(NC(=O)C1(C(F)(F)F)CCNC1)C(=O)O.
What is the InChIKey of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is JEUNIOQEUMQOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-3-7(8(17)18)16-9(19)10(11(12,13)14)4-5-15-6-10/h7,15H,2-6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 282.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 55227642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).